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Papers matching “conformational sampling” 5

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Long timescale ensemble methods in molecular dynamics: Ligand-protein interactions and allostery in SARS-CoV-2 targets
2022 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Agastya P. Bhati, Art Hoti, Andrew Potterton, Peter V. Coveney

1

citations
Long timescale ensemble methods in molecular dynamics: Ligand-protein interactions and allostery in SARS-CoV-2 targets
2023 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Agastya P. Bhati, Art Hoti, Andrew Potterton, M. Bieniek, Peter V. Coveney

1

citations
Long timescale ensemble methods in molecular dynamics: Ligand-protein interactions and allostery in SARS-CoV-2 targets
2023 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Agastya P. Bhati, Art Hoti, Andrew Potterton, M. Bieniek, Peter V. Coveney

0

citations
Conformal Cross-Modal Active Learning
2026 arXiv (Cornell University) preprint Computer Science Machine Learning and Algorithms Open access

Huy Hoang Nguyen, Cédric Jung, Shirin Salehi, Tobias Glück, Anke Schmeink, Andreas Kugi

0

citations
Long-Memory Reservoir Computing for Data-Scarce Dengue Forecasting
2026 arXiv (Cornell University) preprint Computer Science Neural Networks and Reservoir Computing Open access

Rahul Goswami, Shinjini Paul, Palash Ghosh, Tanujit Chakraborty

0

citations

5 results